2-[1-(2-chlorophenyl)tetrazol-5-yl]sulfanylacetamide

C9H8ClN5OS — CID 2223242

IUPAC2-[1-(2-chlorophenyl)tetrazol-5-yl]sulfanylacetamide
SMILESNC(=O)CSc1nnnn1-c1ccccc1Cl
InChIInChI=1S/C9H8ClN5OS/c10-6-3-1-2-4-7(6)15-9(12-13-14-15)17-5-8(11)16/h1-4H,5H2,(H2,11,16)
InChIKeyLVOHXFZWVBCJIU-UHFFFAOYSA-N
MW269.72 g/mol
LogP0.89
Rot. Bonds4

About 2-[1-(2-chlorophenyl)tetrazol-5-yl]sulfanylacetamide

2-[1-(2-chlorophenyl)tetrazol-5-yl]sulfanylacetamide (PubChem CID 2223242) has the molecular formula C9H8ClN5OS and a molecular weight of 269.72 g/mol. Its IUPAC name is 2-[1-(2-chlorophenyl)tetrazol-5-yl]sulfanylacetamide.

Molecular Properties

Compound Name2-[1-(2-chlorophenyl)tetrazol-5-yl]sulfanylacetamide
PubChem CID2223242
Molecular FormulaC9H8ClN5OS
Molecular Weight269.72 g/mol
Exact Mass269.01
IUPAC Name2-[1-(2-chlorophenyl)tetrazol-5-yl]sulfanylacetamide
SMILESNC(=O)CSc1nnnn1-c1ccccc1Cl
InChIInChI=1S/C9H8ClN5OS/c10-6-3-1-2-4-7(6)15-9(12-13-14-15)17-5-8(11)16/h1-4H,5H2,(H2,11,16)
InChIKeyLVOHXFZWVBCJIU-UHFFFAOYSA-N
XLogP0.89
TPSA86.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.72
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-phenyl-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
CID 702136
2-[1-(2-chloro-4-methyl-phenyl)tetrazol-5-yl]sulfanyl-N-(2-chlorophenyl)acetamide
CID 5275183
1-(3-chlorophenyl)-5-(prop-2-ynylthio)-1H-1,2,3,4-tetraazole
CID 2731962
N-(4-chlorophenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
CID 738629
2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]acetohydrazide
CID 671673
4-[1-(3-Chloro-phenyl)-1H-tetrazol-5-ylsulfanyl]-butyronitrile
CID 592588
N-(2,6-dichlorophenyl)-2-[(1-methyl-1H-tetraazol-5-yl)sulfanyl]acetamide
CID 901004
N-(4-chlorophenyl)-3-oxo-4-(1-phenyltetrazol-5-yl)sulfanylbutanamide
CID 2997817
2-((1-(2-chlorophenyl)-1H-tetrazol-5-yl)thio)-N-(4-(4-methylpiperazin-1-yl)phenyl)acetamide
CID 4870439
2-[1-(2-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(2-nitrophenyl)acetamide
CID 5275035
2-[1-(4-Chloro-phenyl)-1H-tetrazol-5-ylmethylsulfanyl]-6-methyl-pyrimidin-4-ol
CID 135497941
6-Amino-2-[1-(4-chloro-phenyl)-1H-tetrazol-5-ylmethylsulfanyl]-pyrimidin-4-ol
CID 135498038

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-chlorophenyl)tetrazol-5-yl]sulfanylacetamide?
The IUPAC name of 2-[1-(2-chlorophenyl)tetrazol-5-yl]sulfanylacetamide (CID 2223242) is 2-[1-(2-chlorophenyl)tetrazol-5-yl]sulfanylacetamide.
What is the SMILES notation for 2-[1-(2-chlorophenyl)tetrazol-5-yl]sulfanylacetamide?
The canonical SMILES for 2-[1-(2-chlorophenyl)tetrazol-5-yl]sulfanylacetamide is NC(=O)CSc1nnnn1-c1ccccc1Cl.
What is the InChIKey of 2-[1-(2-chlorophenyl)tetrazol-5-yl]sulfanylacetamide?
The InChIKey is LVOHXFZWVBCJIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN5OS/c10-6-3-1-2-4-7(6)15-9(12-13-14-15)17-5-8(11)16/h1-4H,5H2,(H2,11,16).
What are the key properties of 2-[1-(2-chlorophenyl)tetrazol-5-yl]sulfanylacetamide?
2-[1-(2-chlorophenyl)tetrazol-5-yl]sulfanylacetamide has a molecular weight of 269.72 g/mol, XLogP of 0.89, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-chlorophenyl)tetrazol-5-yl]sulfanylacetamide is sourced from PubChem (CID 2223242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).